AB00109834-01
TL;DR: AB00109834-01 (CAS 401580-52-7) is a chemical compound with molecular formula C21H15NO3S2 and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00109834-01, (5E)-5-(3-hydroxy-4-methoxybenzylidene)-3-(naphthalen-1-yl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[(3-hydroxy-4-methoxyphenyl)methylene]-3-naphthyl-2-thioxo-1,3-thiazolidin-4 -one
| Molecular Formula | C21H15NO3S2 |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 4.9598 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.04935 |
| Heavy Atoms | 27 |
| Complexity | 1102.282 |
Chemical Identifiers
| CAS Number | 401580-52-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC4=CC=CC=C43)O |
Product Overview
AB00109834-01 (CAS 401580-52-7), with molecular formula C21H15NO3S2 and molecular weight 393.05 g/mol. IUPAC: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00109834-01
Property Insights of AB00109834-01
The XLogP value of 4.9598 indicates that AB00109834-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, AB00109834-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00109834-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00109834-01?
The CAS number of AB00109834-01 is 401580-52-7.
What is the molecular formula of AB00109834-01?
The molecular formula of AB00109834-01 is C21H15NO3S2.
What is the molecular weight of AB00109834-01?
The molecular weight of AB00109834-01 is 393.05 g/mol.
Where can I buy AB00109834-01?
You can request a quote for AB00109834-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109834-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109834-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.